Bioactive Compound Details

BioIDbio2652
NameHYDRASTINE
ChEMBL IDCHEMBL1256919
Molecular FormulaC21H21NO6
Molecular Weight383.4
Molecular Weight (Monoisotopic)383.1369
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsHYDRASTINE|NSC-757430
SmilesCOc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3
InchiInChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m1/s1
Inchi KeyJZUTXVTYJDCMDU-MOPGFXCFSA-N
Molecular SpeciesNEUTRAL
Targets12.0
Bioactivities20.0
Np Likeness Score1.25
Records Key['SID11113244', 'SID144207884', 'HYDRASTINE', 'HYDRASTINE (1R, 9S)', 'hydrastine', 'COVC-0673396256', 'NCGC00093981-01', '(+)-Hydrastine', 'Hydrastine', 'HYDRASTINE (1R; 9S)', 'HYDRASTINE (1R; 9S)', 'HYDRASTINE (1R; 9S)', '18']
Records Name['SID11113244', 'SID144207884', 'HYDRASTINE', 'HYDRASTINE (1R, 9S)', 'hydrastine', 'HYDRASTINE', '(+)-Hydrastine', '(+)-Hydrastine', 'Hydrastine', 'HYDRASTINE (1R; 9S)', 'HYDRASTINE (1R; 9S)', 'HYDRASTINE (1R; 9S)', 'Beta-hydrastine']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure